Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

_symmetry_equiv.pos_as_xyz

Name:
'_symmetry_equiv.pos_as_xyz'

Definition:

   Symmetry-equivalent position in the 'xyz' representation. Except
   for the space group P1, these data will be repeated in a loop.
   The format of the data item is as per International Tables for
   Crystallography Vol. A (2002). All equivalent positions should
   be entered, including those for lattice centring and a centre of
   symmetry, if present.

Example:

-y+x,-y,1/3+z

Type: line

Mandatory item: no

Alias:
_symmetry_equiv_pos_as_xyz (cif_core.dic version 2.0.1)

Category: symmetry_equiv


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.